CS-0615779
5-Hydroxy-1-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Manufacturer: ChemScene
CAS Number: 2803902-63-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₀F₃NO
Molecular Weight
241.21
Synonyms
None
SMILES
N#CC1=CC=C2C(O)CCCC2=C1C(F)(F)F
Tpsa
44.02
Logp
2.94678
H Acceptors
2
H Donors
1
Rotatable Bonds
0
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀F₃NO
Molecular Weight: 241.21
Synonyms: None
SMILES: N#CC1=CC=C2C(O)CCCC2=C1C(F)(F)F
Tpsa: 44.02
Logp: 2.94678
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀F₃NO
Molecular Weight:
241.21
Synonyms:
None
SMILES:
N#CC1=CC=C2C(O)CCCC2=C1C(F)(F)F
Tpsa:
44.02
Logp:
2.94678
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀N₄
Molecular Weight: 150.18
Synonyms: None
SMILES: N#CC[C@@H]1N(C#N)CCNC1
Tpsa: 62.85
Logp: -0.34504
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀N₄
Molecular Weight:
150.18
Synonyms:
None
SMILES:
N#CC[C@@H]1N(C#N)CCNC1
Tpsa:
62.85
Logp:
-0.34504
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁₂H₁₆₃N₂₇O₃₄S₅
Molecular Weight: 2591.98
Synonyms: STX-b
SMILES: O=C([C@@H](N)CSSC[C@H](NC1=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC2=CNC3=CC=CC=C23)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)CC(O)=O)=O)CCC(N)=O)=O)CC4=CNC=N4)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]5CCC(O)=O)=O)CCCCN)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCSC)=O)CC(O)=O)=O)CCCCN)=O)CSSC[C@H](NC5=O)C(N[C@H](C(N[C@H](C(N[C@H]1CC6=CC=CC=C6)=O)CC7=CC=C(O)C=C7)=O)CC(C)C)=O)=O)[C@@H](C)O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁₂H₁₆₃N₂₇O₃₄S₅
Molecular Weight:
2591.98
Synonyms:
STX-b
SMILES:
O=C([C@@H](N)CSSC[C@H](NC1=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC2=CNC3=CC=CC=C23)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)CC(O)=O)=O)CCC(N)=O)=O)CC4=CNC=N4)=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]5CCC(O)=O)=O)CCCCN)=O)CC(O)=O)=O)[C@@H](C)O)=O)CCSC)=O)CC(O)=O)=O)CCCCN)=O)CSSC[C@H](NC5=O)C(N[C@H](C(N[C@H](C(N[C@H]1CC6=CC=CC=C6)=O)CC7=CC=C(O)C=C7)=O)CC(C)C)=O)=O)[C@@H](C)O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀BF₃O₂
Molecular Weight: 312.14
Synonyms: None
SMILES: C/C(C1=CC=C(C(F)(F)F)C=C1)=C\B2OC(C)(C)C(C)(C)O2
Tpsa: 18.46
Logp: 4.7401
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀BF₃O₂
Molecular Weight:
312.14
Synonyms:
None
SMILES:
C/C(C1=CC=C(C(F)(F)F)C=C1)=C\B2OC(C)(C)C(C)(C)O2
Tpsa:
18.46
Logp:
4.7401
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2